ethyl 8-fluoroquinoline-3-carboxylate

C12H10FNO2 — CID 15525332

IUPACethyl 8-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C12H10FNO2/c1-2-16-12(15)9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,2H2,1H3
InChIKeyWHWANFMWJBLPCS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.55
Rot. Bonds2

About ethyl 8-fluoroquinoline-3-carboxylate

ethyl 8-fluoroquinoline-3-carboxylate (PubChem CID 15525332) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is ethyl 8-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoroquinoline-3-carboxylate
PubChem CID15525332
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Nameethyl 8-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C12H10FNO2/c1-2-16-12(15)9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,2H2,1H3
InChIKeyWHWANFMWJBLPCS-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
ethyl 7-(dimethylamino)-6-fluoroquinoline-3-carboxylate
CID 129247650
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 8-fluoroquinoline-3-carboxylate (CID 15525332) is ethyl 8-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of ethyl 8-fluoroquinoline-3-carboxylate?
The InChIKey is WHWANFMWJBLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-2-16-12(15)9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 8-fluoroquinoline-3-carboxylate?
ethyl 8-fluoroquinoline-3-carboxylate has a molecular weight of 219.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 15525332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).